N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide

C145H133F4N25O15S3 — CID 157106111

IUPACN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccccc2)cc1-c1cncc(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C26H25N3O4S.C25H23F2N5O.C25H25N5O3S.C25H24N4O4S.C24H21F2N5O2.C20H15N3O/c1-17-6-7-22(29-26(30)19-4-3-5-23(13-19)34(2,31)32)14-24(17)21-12-20(15-27)25(28-16-21)18-8-10-33-11-9-18;1-16-5-6-21(31-25(33)18-4-2-3-17(11-18)23(26)27)13-22(16)20-12-19(14-28)24(30-15-20)32-9-7-29-8-10-32;1-17-6-7-21(29-25(31)18-4-3-5-22(13-18)34(2,32)33)14-23(17)20-12-19(15-26)24(28-16-20)30-10-8-27-9-11-30;1-17-6-7-21(28-25(30)18-4-3-5-22(13-18)34(2,31)32)14-23(17)20-12-19(15-26)24(27-16-20)29-8-10-33-11-9-29;1-15-21(19-10-18(12-27)23(29-13-19)31-5-7-33-8-6-31)11-20(14-28-15)30-24(32)17-4-2-3-16(9-17)22(25)26;1-14-7-8-18(23-20(24)16-5-3-2-4-6-16)10-19(14)17-9-15(11-21)12-22-13-17/h3-7,12-14,16,18H,8-11H2,1-2H3,(H,29,30);2-6,11-13,15,23,29H,7-10H2,1H3,(H,31,33);3-7,12-14,16,27H,8-11H2,1-2H3,(H,29,31);3-7,12-14,16H,8-11H2,1-2H3,(H,28,30);2-4,9-11,13-14,22H,5-8H2,1H3,(H,30,32);2-10,12-13H,1H3,(H,23,24)
InChIKeyAGHXIXQVRNZKKR-UHFFFAOYSA-N
MW2638.01 g/mol
LogP23.95
Rot. Bonds28

About N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide

N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide (PubChem CID 157106111) has the molecular formula C145H133F4N25O15S3 and a molecular weight of 2638.01 g/mol. Its IUPAC name is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
PubChem CID157106111
Molecular FormulaC145H133F4N25O15S3
Molecular Weight2638.01 g/mol
Exact Mass2635.95
IUPAC NameN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccccc2)cc1-c1cncc(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C26H25N3O4S.C25H23F2N5O.C25H25N5O3S.C25H24N4O4S.C24H21F2N5O2.C20H15N3O/c1-17-6-7-22(29-26(30)19-4-3-5-23(13-19)34(2,31)32)14-24(17)21-12-20(15-27)25(28-16-21)18-8-10-33-11-9-18;1-16-5-6-21(31-25(33)18-4-2-3-17(11-18)23(26)27)13-22(16)20-12-19(14-28)24(30-15-20)32-9-7-29-8-10-32;1-17-6-7-21(29-25(31)18-4-3-5-22(13-18)34(2,32)33)14-23(17)20-12-19(15-26)24(28-16-20)30-10-8-27-9-11-30;1-17-6-7-21(28-25(30)18-4-3-5-22(13-18)34(2,31)32)14-23(17)20-12-19(15-26)24(27-16-20)29-8-10-33-11-9-29;1-15-21(19-10-18(12-27)23(29-13-19)31-5-7-33-8-6-31)11-20(14-28-15)30-24(32)17-4-2-3-16(9-17)22(25)26;1-14-7-8-18(23-20(24)16-5-3-2-4-6-16)10-19(14)17-9-15(11-21)12-22-13-17/h3-7,12-14,16,18H,8-11H2,1-2H3,(H,29,30);2-6,11-13,15,23,29H,7-10H2,1H3,(H,31,33);3-7,12-14,16,27H,8-11H2,1-2H3,(H,29,31);3-7,12-14,16H,8-11H2,1-2H3,(H,28,30);2-4,9-11,13-14,22H,5-8H2,1H3,(H,30,32);2-10,12-13H,1H3,(H,23,24)
InChIKeyAGHXIXQVRNZKKR-UHFFFAOYSA-N
XLogP23.95
TPSA574.70 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.01
LogP ≤ 523.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide?
The IUPAC name of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide (CID 157106111) is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccccc2)cc1-c1cncc(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.
What is the InChIKey of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide?
The InChIKey is AGHXIXQVRNZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S.C25H23F2N5O.C25H25N5O3S.C25H24N4O4S.C24H21F2N5O2.C20H15N3O/c1-17-6-7-22(29-26(30)19-4-3-5-23(13-19)34(2,31)32)14-24(17)21-12-20(15-27)25(28-16-21)18-8-10-33-11-9-18;1-16-5-6-21(31-25(33)18-4-2-3-17(11-18)23(26)27)13-22(16)20-12-19(14-28)24(30-15-20)32-9-7-29-8-10-32;1-17-6-7-21(29-25(31)18-4-3-5-22(13-18)34(2,32)33)14-23(17)20-12-19(15-26)24(28-16-20)30-10-8-27-9-11-30;1-17-6-7-21(28-25(30)18-4-3-5-22(13-18)34(2,31)32)14-23(17)20-12-19(15-26)24(27-16-20)29-8-10-33-11-9-29;1-15-21(19-10-18(12-27)23(29-13-19)31-5-7-33-8-6-31)11-20(14-28-15)30-24(32)17-4-2-3-16(9-17)22(25)26;1-14-7-8-18(23-20(24)16-5-3-2-4-6-16)10-19(14)17-9-15(11-21)12-22-13-17/h3-7,12-14,16,18H,8-11H2,1-2H3,(H,29,30);2-6,11-13,15,23,29H,7-10H2,1H3,(H,31,33);3-7,12-14,16,27H,8-11H2,1-2H3,(H,29,31);3-7,12-14,16H,8-11H2,1-2H3,(H,28,30);2-4,9-11,13-14,22H,5-8H2,1H3,(H,30,32);2-10,12-13H,1H3,(H,23,24).
What are the key properties of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide?
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide has a molecular weight of 2638.01 g/mol, XLogP of 23.95, 28 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 157106111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).